SCHEMBL30788544

SCHEMBL30788544

CC(C)(C)c1ccc(OCSCc2n[nH]c(=O)o2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 2/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ SORT1 Q99523 1/20 0.35
▸ NOTUM Q6P988 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29125727 1.00 MTNR1B (0.37) MTNR1BMTNR1APTGS1SORT1NOTUM
SCHEMBL29125704 0.86 ALDH1A1 (0.48) MTNR1BALDH1A1
SCHEMBL30788489 0.86 ALDH1A1 (0.48) MTNR1BALDH1A1
SCHEMBL29125878 0.80 NOTUM (0.44) MTNR1BMTNR1ASORT1NOTUMALDH1A1
SCHEMBL30788519 0.80 NOTUM (0.44) MTNR1BMTNR1ASORT1NOTUMALDH1A1
SCHEMBL29125689 0.80 NOTUM (0.40) MTNR1BMTNR1APTGS1SORT1NOTUM
SCHEMBL30788480 0.79 TSHR (0.40) ALDH1A1
SCHEMBL29125913 0.79 TSHR (0.40) ALDH1A1
SCHEMBL29125882 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL30788508 0.74 ALDH1A1 (0.31) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 — — CN disclosed
Send feedback